bis(acetonitrile);dichloropalladium;hydrochloride

C4H7Cl3N2Pd — CID 173036610

IUPACbis(acetonitrile);dichloropalladium;hydrochloride
SMILESCC#N.CC#N.Cl.Cl[Pd]Cl
InChIInChI=1S/2C2H3N.3ClH.Pd/c2*1-2-3;;;;/h2*1H3;3*1H;/q;;;;;+2/p-2
InChIKeyOCKQXVNUDNVSIR-UHFFFAOYSA-L
MW295.89 g/mol
LogP2.86
Rot. Bonds

About bis(acetonitrile);dichloropalladium;hydrochloride

bis(acetonitrile);dichloropalladium;hydrochloride (PubChem CID 173036610) has the molecular formula C4H7Cl3N2Pd and a molecular weight of 295.89 g/mol. Its IUPAC name is bis(acetonitrile);dichloropalladium;hydrochloride.

Molecular Properties

Compound Namebis(acetonitrile);dichloropalladium;hydrochloride
PubChem CID173036610
Molecular FormulaC4H7Cl3N2Pd
Molecular Weight295.89 g/mol
Exact Mass293.87
IUPAC Namebis(acetonitrile);dichloropalladium;hydrochloride
SMILESCC#N.CC#N.Cl.Cl[Pd]Cl
InChIInChI=1S/2C2H3N.3ClH.Pd/c2*1-2-3;;;;/h2*1H3;3*1H;/q;;;;;+2/p-2
InChIKeyOCKQXVNUDNVSIR-UHFFFAOYSA-L
XLogP2.86
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.89
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);dichloropalladium;hydrochloride?
The IUPAC name of bis(acetonitrile);dichloropalladium;hydrochloride (CID 173036610) is bis(acetonitrile);dichloropalladium;hydrochloride.
What is the SMILES notation for bis(acetonitrile);dichloropalladium;hydrochloride?
The canonical SMILES for bis(acetonitrile);dichloropalladium;hydrochloride is CC#N.CC#N.Cl.Cl[Pd]Cl.
What is the InChIKey of bis(acetonitrile);dichloropalladium;hydrochloride?
The InChIKey is OCKQXVNUDNVSIR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H3N.3ClH.Pd/c2*1-2-3;;;;/h2*1H3;3*1H;/q;;;;;+2/p-2.
What are the key properties of bis(acetonitrile);dichloropalladium;hydrochloride?
bis(acetonitrile);dichloropalladium;hydrochloride has a molecular weight of 295.89 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);dichloropalladium;hydrochloride is sourced from PubChem (CID 173036610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).